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From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language
BACKGROUND: Multidisciplinary integrated research requires the ability to couple thediverse sets of data obtained from a range of complex experiments andcomputer simulations. Integrating data requires semantically richinformation. In this paper an end-to-end use of semantically rich data incomputati...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3764975/ https://www.ncbi.nlm.nih.gov/pubmed/23705910 http://dx.doi.org/10.1186/1758-2946-5-25 |